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951888-15-6 | 4-Bromo-2'-(thiomethyl)benzophenone
CAS No: 951888-15-6 Catalog No: AG01EZRO MDL No:
Product Description
Catalog Number:
AG01EZRO
Chemical Name:
4-Bromo-2'-(thiomethyl)benzophenone
CAS Number:
951888-15-6
Molecular Formula:
C14H11BrOS
Molecular Weight:
307.2055
IUPAC Name:
(4-bromophenyl)-(2-methylsulfanylphenyl)methanone
InChI:
InChI=1S/C14H11BrOS/c1-17-13-5-3-2-4-12(13)14(16)10-6-8-11(15)9-7-10/h2-9H,1H3
InChI Key:
JHTWABUUOCNCDE-UHFFFAOYSA-N
SMILES:
CSc1ccccc1C(=O)c1ccc(cc1)Br
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.971g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.205g/mol
Monoisotopic Mass:
305.971g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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